title: Note: Photodissociation of CH3COCN at 308 nm by time-resolved Fourier-transform infrared emission spectroscopy: is CO a primary or secondary product?
abstract: This Note aims to clarify the source of CO in photodissociation of acetyl cyanide (CH3COCN) at 308 nm. From the theoretical aspects, a new pathway via isomerization transition state (TS) at 391 ± 8 kJ∕mol is found leading to the CO + CH3NC products. An amount of 60% reactant molecules at 300 K is estimated to successfully surpass the average TS barrier lying above the excitation energy by 3.5 kJ∕mol. Further, a prior distribution method is conducted to characterize the vibrational energy distribution of CO on a statistical basis. The pathway to CH3NC + CO yields a vibrational branching ratio (v = 0:v = 1:v = 2:v = 3∼0.63:0.25:0.093:0.032) in excellent agreement with the observation (0.62:0.25:0.09:0.05).
authors.forename: Po-Yu
authors.initials: PY
authors.lastname: Tsai
authors.forename: King-Chuen
authors.initials: KC
authors.lastname: Lin
mesh_terms: D002248:Carbon Monoxide / Q000737:chemistry*; D003486:Cyanides / Q000737:chemistry*; D055668:Photochemical Processes; D017550:Spectroscopy, Fourier Transform Infrared; D013997:Time Factors
chemical_list: D003486:Cyanides; D002248:Carbon Monoxide